potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate

C6H11KO6 — CID 101160606

IUPACpotassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate
SMILESC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-].[K+]
InChIInChI=1S/C6H12O6.K/c1-2(7)3(8)4(9)5(10)6(11)12;/h2-5,7-10H,1H3,(H,11,12);/q;+1/p-1/t2-,3+,4+,5-;/m0./s1
InChIKeyIVRCKVJFDZEDSO-RMTXHFLUSA-M
MW218.25 g/mol
LogP-6.80
Rot. Bonds4

About potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate

potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate (PubChem CID 101160606) has the molecular formula C6H11KO6 and a molecular weight of 218.25 g/mol. Its IUPAC name is potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate.

Molecular Properties

Compound Namepotassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate
PubChem CID101160606
Molecular FormulaC6H11KO6
Molecular Weight218.25 g/mol
Exact Mass218.02
IUPAC Namepotassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate
SMILESC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-].[K+]
InChIInChI=1S/C6H12O6.K/c1-2(7)3(8)4(9)5(10)6(11)12;/h2-5,7-10H,1H3,(H,11,12);/q;+1/p-1/t2-,3+,4+,5-;/m0./s1
InChIKeyIVRCKVJFDZEDSO-RMTXHFLUSA-M
XLogP-6.80
TPSA121.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-6.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate
CID 19073829
(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 11988282
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 5288393
calcium (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 54675058
iron(2+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 11701673
bis(iron(3+));tris((2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate)
CID 11377634
technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate)
CID 159200130
potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate
CID 23674495
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid
CID 5459874
lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 140580975
diazanium;tris((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate);zirconium(4+)
CID 173362529
dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate
CID 140580978

Frequently Asked Questions

What is the IUPAC name of potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate?
The IUPAC name of potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate (CID 101160606) is potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate.
What is the SMILES notation for potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate?
The canonical SMILES for potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate is C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-].[K+].
What is the InChIKey of potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate?
The InChIKey is IVRCKVJFDZEDSO-RMTXHFLUSA-M. The full InChI is InChI=1S/C6H12O6.K/c1-2(7)3(8)4(9)5(10)6(11)12;/h2-5,7-10H,1H3,(H,11,12);/q;+1/p-1/t2-,3+,4+,5-;/m0./s1.
What are the key properties of potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate?
potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate has a molecular weight of 218.25 g/mol, XLogP of -6.80, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate is sourced from PubChem (CID 101160606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).